4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol

C22H20O4 — CID 163756216

IUPAC4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
SMILESCOc1ccc2c(c1)OCC(c1ccc(O)cc1)C2c1ccc(O)cc1
InChIInChI=1S/C22H20O4/c1-25-18-10-11-19-21(12-18)26-13-20(14-2-6-16(23)7-3-14)22(19)15-4-8-17(24)9-5-15/h2-12,20,22-24H,13H2,1H3
InChIKeyLUHFJBWMPVGJNJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.41
Rot. Bonds3

About 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol

4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol (PubChem CID 163756216) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
PubChem CID163756216
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
SMILESCOc1ccc2c(c1)OCC(c1ccc(O)cc1)C2c1ccc(O)cc1
InChIInChI=1S/C22H20O4/c1-25-18-10-11-19-21(12-18)26-13-20(14-2-6-16(23)7-3-14)22(19)15-4-8-17(24)9-5-15/h2-12,20,22-24H,13H2,1H3
InChIKeyLUHFJBWMPVGJNJ-UHFFFAOYSA-N
XLogP4.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol (CID 163756216) is 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol is COc1ccc2c(c1)OCC(c1ccc(O)cc1)C2c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol?
The InChIKey is LUHFJBWMPVGJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-18-10-11-19-21(12-18)26-13-20(14-2-6-16(23)7-3-14)22(19)15-4-8-17(24)9-5-15/h2-12,20,22-24H,13H2,1H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol?
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol has a molecular weight of 348.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol is sourced from PubChem (CID 163756216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).